MMsINC Database Search


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MMsINC code: MMs01540382

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O(CCN1C(=O)C(NC1=O)(CC)c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H20N2O3/c1-2-19(15-9-5-3-6-10-15)17(22)21(18(23)20-19)13-14-24-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,20,23)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.5941 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -4.17609	SlogP: 3.2342	Reactive groups: 0

Topological Properties
Globularity: 0.100049	Sterimol/B1: 2.54639	Sterimol/B2: 3.68031	Sterimol/B3: 3.93105
Sterimol/B4: 6.65476	Sterimol/L: 17.3094

Surface and Volume Properties
Accessible surface: 560.063	Positive charged surface: 327.424	Negative charged surface: 232.639	Volume: 314.375
Hydrophobic surface: 470.905	Hydrophilic surface: 89.158

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.